Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015716
Preview
| Coordinates | 7015716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H38 Fe4 N30 O4 |
|---|---|
| Calculated formula | C30 H38 Fe4 N30 O4 |
| SMILES | c1[n]2c(ccc1)C[N]13Cc4cccc[n]4[Fe]423([O](CC1)[Fe]1([N](=N#N)[Fe]2([N]1=N#N)(N=N#N)([O]1CC[N]35Cc6cccc[n]6[Fe]15([n]1c(C3)cccc1)([O]2C)N=N#N)N=N#N)(N=N#N)([O]4C)N=N#N)N=N#N |
| Title of publication | Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis. |
| Authors of publication | Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 21 |
| Pages of publication | 5762 - 5773 |
| a | 13.78 ± 0.004 Å |
| b | 13.921 ± 0.004 Å |
| c | 22.471 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4311 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1369 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.82 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210357 (current) | 2018-09-03 | cif/7 Fixing Z values and formulae |
7015716.cif |
| 179861 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/57. |
7015716.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015716.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015716.cif |
| 21328 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015716, 7015717, 7015718, 7015719, 7015720, 7015721 via cif-deposit CGI script. |
7015716.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.